[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone CAS Name: [4-(3,5-dimethyl-1-pyrazolyl)phenyl]-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone Formula: C29H31N4O+ MolecularWeight: 451.58264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C29H30N4O/c1-22-21-23(2)33(30-22)27-15-13-26(14-16-27)29(34)32-19-17-31(18-20-32)28(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-16,21,28H,17-20H2,1-2H3/p+1